Electro-Optical and Spectral Comparative Study of Some Triazolium Methylids with Biomedical Applications

Abstract

Some electro-optical characteristics of four carbanion monosubstituted triazolium ylids - precursors in obtaining new heterocycle derivatives with pharmaceutical and industrial applications - were evaluated by spectral and quantum-mechanics studies. The physical properties were established for the optimized structures of triazolium ylids using HyperChem 8. The nature of the interactions solute-solvent in the triazolium ylid solutions was established by correlations between the polarity/polarizability characteristics of the solution components and the wavenumbers of the visible band.

Spectral Study of Two Carbanion Mono-substituted 4�-phenyl-1,2,4-triazol-1-ium Phenacylids in Binary Protic Solvents

“…Previous studies give some conclusions regarding intermolecular interactions in 1,2,4-triazolium ylids in solutions [13][14][15] and also in other cycloimmonium ylid solutions [16,17], based on the visible electronic absorption band of these compounds which is very sensitive to the solvent nature. They emphasized the presence of the universal interactions in a-protic solvents and supplementary of the specific interactions in the protic solvents [16]. The spectral study in different solvents with various physical-chemical properties becomes very difficult due to the small solubility of triazolium ylids.…”

“…Supplementary information regarding the contribution of the specific interactions in the ternary solutions are added to the previous results obtained in the study of the influence of the binary solvent containing one protic and one non-protic solvent and some cycloimmonium ylids [14][15][16][17].…”

Some Aryl-1,2,4-triazol-1-ium Phenacylids in Binary Hydroxyl Solvent Mixtures. Computational and Spectral Study

“…Many relatively recent reports [4][5][6][7][8] have analyzed the chemical and biological applications of triazolium ylids and of their derivatives. Besides the multiple applications of the 1,2,4-triazolium derivatives [2][3][4][5][6][7][8], the ylids having 1,2,4-Symmetry 2021, 13, 1656. https://doi.org/10.3390/sym13091656 https://www.mdpi.com/journal/symmetry Symmetry 2021, 13, 1656 2 of 21 triazolium derivatives as cation [9,10] are known as precursors to obtaining new heterocycle compounds, which are very important in the pharmaceutical industry. 1,2,4-Triazol-1-ium ylids are dipolar and polarizable heterocyclic compounds with opposite charges located near one positive nitrogen belonging to a triazolium ring and near the negative carbon, named carbanion [9,10].…”

“…Knowledge about the interactions between triazolium ylids and solvent molecules are very useful because the majority of the ylids reactions take place in situ. Some information about the intermolecular interactions from liquid solutions of triazolium ylids have previously been published [11][12][13][14] based on spectral studies in the visible range. Both the universal and specific interactions were emphasized in binary and ternary solutions of 1,2,4-triazol-1-ium ylids.…”

“…Spectral studies were achieved in a reduced number of solvents, both in protic and aprotic solvents [13][14][15], due to the reduced solubility of 1,2,4-triazol-1-ium ylids in the majority of liquids. This is the reason why an extensive solvatochromic study of these ylids has not yet been published.…”